| CAS Number | 1249172-47-1 |
| Catalog Number | AG018RYC(AGN-PC-0WODGV) |
| Chemical Name | 3-(thiophen-3-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10) |
| InChI Key | LVHIWROIPVTAQF-UHFFFAOYSA-N |
| MDL Number | MFCD16671363 |
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.2110 |
| SMILES | O=CC1C(C2=CSC=C2)=NNC=1 |
| Synonyms | 3-(thiophen-3-yl)-1H-pyrazole-4-carbaldehyde,
1249172-47-1,
ZINC50338618,
AKOS011371145,
NE45641,
F8881-7122,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.209g/mol |
| Monoisotopic Mass | 178.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number